| CAS Number | 1370470-34-0 |
| Catalog Number | AG01CJX9(AGN-PC-0BKZ5O) |
| Chemical Name | 4-(4-Fluorophenyl)-6-methoxy-2H-chromene-3-carbaldehyde |
| IUPAC Name | 4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carbaldehyde |
| InChI | InChI=1S/C17H13FO3/c1-20-14-6-7-16-15(8-14)17(12(9-19)10-21-16)11-2-4-13(18)5-3-11/h2-9H,10H2,1H3 |
| InChI Key | NYTCTCIWZUIHON-UHFFFAOYSA-N |
| MDL Number | MFCD32206341 |
| Molecular Formula | C17H13FO3 |
| Molecular Weight | 284.2817 |
| SMILES | O=CC(CO2)=C(C3=CC=C(F)C=C3)C1=C2C=CC(OC)=C1 |
| Synonyms | 1370470-34-0,
SCHEMBL903259,
4-(4-Fluoro-phenyl)-6-methoxy-2H-chromene-3-carbaldehyde,
4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carbaldehyde,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.286g/mol |
| Monoisotopic Mass | 284.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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